QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Ramón López
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A Combined Semiempirical and DFT Computational Protocol for Studying Bioorganometallic Complexes: Application to Molybdocene-Cysteine Complexes
Insights into the hydrolytic chemistry of molybdocene dichloride based on a theoretical mechanistic study
Theoretical Study of the Oxidation of Histidine by Singlet Oxygen
Quantum chemical calculations of stability constants: study of ligand effects on the relative stability of Pd(II)-peptide complexes
Understanding Regioselective Cleavage in Peptide Hydrolysis by a Palladium(II) Aqua Complex: A Theoretical Point of View
Ring opening at N1-C2 bond of azetidin-2-ones by a molybdenum hydroxo-carbonyl complex: evidence from a computational study
Formation of trichlorinated dibenzo-p-dioxins from 2,4-dichlorophenol and 2,4,5-trichlorophenolate: A theoretical study
Theoretical study of the [2+2] cycloaddition of thioketenes with imines to form beta-thiolactams
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